N-methyl-N-(1-methyliminobutan-2-yl)propanamide

C9H18N2O — CID 54481051

IUPACN-methyl-N-(1-methyliminobutan-2-yl)propanamide
SMILESCCC(=O)N(C)C(/C=N/C)CC
InChIInChI=1S/C9H18N2O/c1-5-8(7-10-3)11(4)9(12)6-2/h7-8H,5-6H2,1-4H3/b10-7+
InChIKeyXOZZWIICIFPWAM-JXMROGBWSA-N
MW170.26 g/mol
LogP1.33
Rot. Bonds4

About N-methyl-N-(1-methyliminobutan-2-yl)propanamide

N-methyl-N-(1-methyliminobutan-2-yl)propanamide (PubChem CID 54481051) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-N-(1-methyliminobutan-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methyliminobutan-2-yl)propanamide
PubChem CID54481051
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-N-(1-methyliminobutan-2-yl)propanamide
SMILESCCC(=O)N(C)C(/C=N/C)CC
InChIInChI=1S/C9H18N2O/c1-5-8(7-10-3)11(4)9(12)6-2/h7-8H,5-6H2,1-4H3/b10-7+
InChIKeyXOZZWIICIFPWAM-JXMROGBWSA-N
XLogP1.33
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methyliminobutan-2-yl)propanamide?
The IUPAC name of N-methyl-N-(1-methyliminobutan-2-yl)propanamide (CID 54481051) is N-methyl-N-(1-methyliminobutan-2-yl)propanamide.
What is the SMILES notation for N-methyl-N-(1-methyliminobutan-2-yl)propanamide?
The canonical SMILES for N-methyl-N-(1-methyliminobutan-2-yl)propanamide is CCC(=O)N(C)C(/C=N/C)CC.
What is the InChIKey of N-methyl-N-(1-methyliminobutan-2-yl)propanamide?
The InChIKey is XOZZWIICIFPWAM-JXMROGBWSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-8(7-10-3)11(4)9(12)6-2/h7-8H,5-6H2,1-4H3/b10-7+.
What are the key properties of N-methyl-N-(1-methyliminobutan-2-yl)propanamide?
N-methyl-N-(1-methyliminobutan-2-yl)propanamide has a molecular weight of 170.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methyliminobutan-2-yl)propanamide is sourced from PubChem (CID 54481051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).